CHEBI:67145 - fumigaclavine A(1+)

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ChEBI Name fumigaclavine A(1+) ChEBI ID CHEBI:67145 Definition An ammonium ion obtained by the protonation of the tertiary amino group of fumigaclavine A; major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter KAX Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C18H23N2O2 Net Charge +1 Average Mass 299.38740 Monoisotopic Mass 299.17540 InChI InChI=1S/C18H22N2O2/c1-10-9-20(3)15-7-12-8-19-14-6-4-5-13(16(12)14)17(15)18(10)22-11(2)21/h4-6,8,10,15,17-19H,7,9H2,1-3H3/p+1/t10-,15+,17+,18-/m0/s1 InChIKey GJSSYQDXZLZOLR-IMKJFWDFSA-O SMILES [H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])[C@@H](OC(C)=O)[C@@H](C)C[NH+]2C ChEBI Ontology Outgoing fumigaclavine A(1+) (CHEBI:67145) is a ammonium ion derivative (CHEBI:35274) fumigaclavine A(1+) (CHEBI:67145) is a organic cation (CHEBI:25697) fumigaclavine A(1+) (CHEBI:67145) is conjugate acid of fumigaclavine A (CHEBI:67159) Incoming fumigaclavine A (CHEBI:67159) is conjugate base of fumigaclavine A(1+) (CHEBI:67145) IUPAC Name (8β,9β)-6,8-dimethylergolin-6-ium-9-yl acetate Synonym Source fumigaclavine A UniProt Manual Xref Database CPD-12329 MetaCyc View more database links Citation Type Source 19672909 PubMed citation SUBMITTER Last Modified 20 August 2012